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CAS 338741-79-0 1-(Propyltriethoxyl)-3-methylimidazolium chloride molecular structure lightbox
CAS RN: 338741-79-0

1-(Propyltriethoxyl)-3-methylimidazolium chloride

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250806 100g Out of stock Inquiry
Batchno.20260213 25g In stock Inquiry
Batchno.20260507 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250919 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS338741-79-0
  • Purity/Analytical Methods: >99.0%
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338741-79-0 / triethoxy-[3-(3-methylimidazol-3-ium-1-yl)propyl]silane chloride

Standard CAS: 338741-79-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
338741-79-0
Multi CAS
No
Molecular Formula
C13H27CLN2O3SI
Molecular Weight
322.900000
Exact Mass
322.147947
InChI
InChI=1S/C13H27N2O3Si.ClH/c1-5-16-19(17-6-2,18-7-3)12-8-9-15-11-10-14(4)13-15;/h10-11,13H,5-9,12H2,1-4H3;1H/q+1;/p-1
InChIKey
JJYFFSQOTJCZSJ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.77
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
75.66
TPSA
36.5

LogP / Solubility

WLOGP
-1.24
MLOGP
-1.08
XLogP3
-1.24
Consensus LogP
-1.19
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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